Molecule

ID:64529

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClN₃
Molecular Mass
153.56906
Exact Mass
153.00937482
Charge
0
InChI
InChI=1S/C6H4ClN3/c7-5-2-1-3-6-9-8-4-10(5)6/h1-4H
InChIKey
FBQZXTMUYNKLRF-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc2n1cnn2
Isomeric Smiles
n12c(nnc2)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.11778911
LogD (pH = 7.4)
0.11814851
Log P
0.118153095
Molar Refractivity
40.9585
Polarizability
14.35268
Polar Surface Area
30.19
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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